Structure of PDB 1mzv Chain A Binding Site BS01

Receptor Information
>1mzv Chain A (length=216) Species: 5689 (Leishmania tarentolae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLKEIGPNSLLLEDSHSLSQLLKKNYRWYSPIFSPRNVPRFADVSSITES
PETLKAIRDFLVERYRTMSPAPTHILGFDARGFLFGPMIAVELGIPFVLM
RKADKNAGLLIRSEPYEKEYKEAAPEVMTIRHGSIGKNSRVVLIDDVLAT
GGTALSGLQLVEASGAEVVEMVSILTIPFLKAAERIHSTAGGRYKNVRFI
GLLSEDVLTEANCGDL
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1mzv Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1mzv Crystal structure of adenine phosphoribosyltransferase from Leishmania tarentolae: potential implications for APRT catalytic mechanism.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R37 F42 A43 R82 D146 D147 V148 A150 T151 G152 T154
Binding residue
(residue number reindexed from 1)		R36 F41 A42 R81 D145 D146 V147 A149 T150 G151 T153
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R82 E120
Catalytic site (residue number reindexed from 1) R81 E119
Enzyme Commision number 2.4.2.7: adenine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003999 adenine phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:1mzv, PDBe:1mzv, PDBj:1mzv
PDBsum1mzv
PubMed14726202
UniProtO77103

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